aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD33531 | -0.64 | 183.14 | C5H14O4NP | CO[PH](O)(O)N1CCOCC1 |
|
AD33532 | 1.63 | 248.22 | C9H17O4N2P | CCOP(=O)(OCC)c1ncoc1N(C)C |
|
AD33533 | 0.81 | 256.25 | C12H10O2N5 | Nc1nc2c(c(=O)[nH]1)N=C(OCc1ccccc1)[N]2 |
|
AD33534 | 0.27 | 191.19 | C10H9O3N | O=C1c2ccccc2C(=O)N1CCO |
|
AD33535 | 0.47 | 247.28 | C11H15ON6 | Nc1nc2c(c(=O)[nH]1)N=C(N1CCCCCC1)[N]2 |
|
AD33536 | 0.38 | 255.26 | C12H11ON6 | Nc1nc2c(c(=O)[nH]1)N=C(NCc1ccccc1)[N]2 |
|
AD33537 | 0.32 | 247.28 | C11H15ON6 | CC1CCN(C2=Nc3c(nc(N)[nH]c3=O)[N]2)CC1 |
|
AD33538 | 1.49 | 178.19 | C10H10O3 | CC1=CC(=O)OC2C=C(O)C=CC12 |
|
AD33539 | 0.41 | 215.12 | C6H5O6N3 | Nc1ccc(O[N+](=O)[O-])cc1O[N+](=O)[O-] |
|
AD33540 | 0.55 | 232.24 | C12H12O3N2 | NC(=O)CCCN1C(=O)c2ccccc2C1=O |